REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2nxj_1_B DATA FIRST_RESID 1 DATA SEQUENCE MWVYRLKGTL EALDPILPGL FDGGARGLWE REGEVWAFFP APVDLPYEGV DATA SEQUENCE WEEVXXXDWL EAWRRDLKPA LAPPFVVLAP WHTWEGAEIP LVIEPGXXXX DATA SEQUENCE XXXHETTRLA LKALARHLRP GDKVLDLGTG SGVLAIAAEK LGGKALGVDI DATA SEQUENCE DPMVLPQAEA NAKRNGVRPR FLEGSLEAAL PFGPFDLLVA NLYAELHAAL DATA SEQUENCE APRYREALVP GGRALLTGIL KDRAPLVREA MAGAGFRPLE EAAEGEWVLL DATA SEQUENCE AYGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.623 176.300 0.538 0.000 1.140 1 M CA 0.000 55.587 55.300 0.479 0.000 0.988 1 M CB 0.000 32.858 32.600 0.430 0.000 1.302 2 W N 1.685 123.169 121.300 0.306 0.000 2.237 2 W HA 0.583 5.244 4.660 0.001 0.000 0.335 2 W C -0.028 176.775 176.519 0.473 0.000 1.230 2 W CA -0.289 57.261 57.345 0.341 0.000 1.253 2 W CB 0.702 30.312 29.460 0.249 0.000 1.129 2 W HN 0.182 nan 8.180 nan 0.000 0.590 3 V N 3.479 123.645 119.914 0.420 0.000 2.409 3 V HA 0.161 4.282 4.120 0.001 0.000 0.291 3 V C -1.152 174.792 176.094 -0.249 0.000 1.020 3 V CA -1.213 61.064 62.300 -0.038 0.000 0.848 3 V CB 0.796 32.341 31.823 -0.463 0.000 0.990 3 V HN 0.287 nan 8.190 nan 0.000 0.430 4 Y N 5.737 125.702 120.300 -0.558 0.000 2.350 4 Y HA 0.559 5.110 4.550 0.001 0.000 0.340 4 Y C 0.498 176.102 175.900 -0.493 0.000 1.006 4 Y CA -0.523 57.060 58.100 -0.861 0.000 1.166 4 Y CB 0.823 38.711 38.460 -0.954 0.000 1.168 4 Y HN 0.536 nan 8.280 nan 0.000 0.502 5 R N 6.392 126.390 120.500 -0.836 0.000 2.310 5 R HA 0.570 4.910 4.340 0.001 0.000 0.324 5 R C -1.487 174.532 176.300 -0.469 0.000 0.955 5 R CA -0.499 55.258 56.100 -0.573 0.000 0.830 5 R CB 1.136 31.063 30.300 -0.620 0.000 1.154 5 R HN 0.645 nan 8.270 nan 0.000 0.458 6 L N 2.411 123.515 121.223 -0.198 0.000 2.341 6 L HA 0.487 4.828 4.340 0.001 0.000 0.267 6 L C -0.264 176.592 176.870 -0.024 0.000 1.009 6 L CA -1.126 53.633 54.840 -0.135 0.000 0.819 6 L CB 1.871 43.893 42.059 -0.062 0.000 1.323 6 L HN 0.331 nan 8.230 nan 0.000 0.425 7 K N 2.222 122.604 120.400 -0.029 0.000 2.339 7 K HA 0.616 4.937 4.320 0.001 0.000 0.286 7 K C 0.211 176.815 176.600 0.007 0.000 1.050 7 K CA 0.078 56.365 56.287 -0.000 0.000 0.956 7 K CB 0.981 33.477 32.500 -0.007 0.000 0.990 7 K HN 0.838 nan 8.250 nan 0.000 0.475 8 G N 1.395 110.206 108.800 0.017 0.000 2.316 8 G HA2 -0.125 3.836 3.960 0.001 0.000 0.349 8 G HA3 -0.125 3.836 3.960 0.001 0.000 0.349 8 G C -0.699 174.208 174.900 0.012 0.000 1.274 8 G CA -0.470 44.635 45.100 0.009 0.000 1.018 8 G HN 0.656 nan 8.290 nan 0.000 0.486 9 T N -1.462 113.092 114.554 -0.001 0.000 2.949 9 T HA 0.694 5.044 4.350 0.001 0.000 0.287 9 T C 1.749 176.444 174.700 -0.009 0.000 1.034 9 T CA -0.118 61.977 62.100 -0.007 0.000 1.018 9 T CB 1.670 70.528 68.868 -0.018 0.000 1.135 9 T HN 0.737 nan 8.240 nan 0.000 0.532 10 L N 0.223 121.438 121.223 -0.013 0.000 2.012 10 L HA -0.084 4.257 4.340 0.001 0.000 0.210 10 L C 3.094 179.957 176.870 -0.012 0.000 1.073 10 L CA 1.728 56.563 54.840 -0.007 0.000 0.748 10 L CB -0.533 41.521 42.059 -0.009 0.000 0.891 10 L HN 0.856 nan 8.230 nan 0.000 0.431 11 E N 0.312 120.503 120.200 -0.015 0.000 2.118 11 E HA -0.256 4.095 4.350 0.001 0.000 0.195 11 E C 2.114 178.705 176.600 -0.015 0.000 0.992 11 E CA 1.438 57.831 56.400 -0.012 0.000 0.804 11 E CB 0.095 29.788 29.700 -0.013 0.000 0.741 11 E HN 0.487 nan 8.360 nan 0.000 0.458 12 A N 0.601 123.411 122.820 -0.017 0.000 1.929 12 A HA -0.045 4.275 4.320 0.001 0.000 0.216 12 A C 2.149 179.716 177.584 -0.029 0.000 1.176 12 A CA 0.699 52.726 52.037 -0.018 0.000 0.628 12 A CB -0.297 18.695 19.000 -0.013 0.000 0.816 12 A HN 0.256 nan 8.150 nan 0.000 0.444 13 L N -0.810 120.390 121.223 -0.039 0.000 2.509 13 L HA -0.012 4.329 4.340 0.001 0.000 0.222 13 L C 1.866 178.679 176.870 -0.096 0.000 1.123 13 L CA 0.614 55.409 54.840 -0.074 0.000 0.856 13 L CB -0.319 41.693 42.059 -0.079 0.000 0.985 13 L HN 0.372 nan 8.230 nan 0.000 0.456 14 D N 1.333 121.697 120.400 -0.060 0.000 2.248 14 D HA -0.232 4.408 4.640 0.001 0.000 0.189 14 D C -0.702 175.555 176.300 -0.072 0.000 1.011 14 D CA 2.015 55.984 54.000 -0.053 0.000 0.868 14 D CB -0.641 40.150 40.800 -0.015 0.000 0.931 14 D HN 0.148 nan 8.370 nan 0.000 0.449 15 P HA -0.049 nan 4.420 nan 0.000 0.223 15 P C 1.390 178.648 177.300 -0.070 0.000 1.144 15 P CA 1.142 64.217 63.100 -0.041 0.000 0.783 15 P CB -0.245 31.443 31.700 -0.020 0.000 0.771 16 I N -6.056 114.416 120.570 -0.163 0.000 4.070 16 I HA 0.078 4.249 4.170 0.001 0.000 0.328 16 I C 1.615 177.504 176.117 -0.380 0.000 1.298 16 I CA 0.208 61.327 61.300 -0.302 0.000 1.173 16 I CB -0.612 36.998 38.000 -0.649 0.000 1.051 16 I HN -0.240 nan 8.210 nan 0.000 0.409 17 L N 1.573 122.579 121.223 -0.362 0.000 2.089 17 L HA -0.127 4.214 4.340 0.001 0.000 0.213 17 L C -0.258 176.122 176.870 -0.817 0.000 1.079 17 L CA 1.781 56.246 54.840 -0.625 0.000 0.758 17 L CB -2.208 39.474 42.059 -0.628 0.000 0.891 17 L HN 0.300 nan 8.230 nan 0.000 0.433 18 P HA -0.097 nan 4.420 nan 0.000 0.222 18 P C 1.593 178.914 177.300 0.036 0.000 1.147 18 P CA 1.482 64.542 63.100 -0.067 0.000 0.790 18 P CB -0.149 31.593 31.700 0.070 0.000 0.780 19 G N -0.004 108.838 108.800 0.069 0.000 2.418 19 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 19 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 19 G C 1.388 176.438 174.900 0.250 0.000 1.158 19 G CA 0.566 45.830 45.100 0.272 0.000 0.771 19 G HN 0.233 nan 8.290 nan 0.000 0.545 20 L N -0.685 120.597 121.223 0.099 0.000 2.044 20 L HA 0.095 4.436 4.340 0.001 0.000 0.205 20 L C 2.756 179.796 176.870 0.283 0.000 1.075 20 L CA 0.786 55.748 54.840 0.205 0.000 0.747 20 L CB -0.671 41.409 42.059 0.036 0.000 0.903 20 L HN 0.177 nan 8.230 nan 0.000 0.435 21 F N 0.224 120.252 119.950 0.131 0.000 2.161 21 F HA -0.255 4.273 4.527 0.001 0.000 0.300 21 F C 2.483 178.349 175.800 0.109 0.000 1.089 21 F CA 0.591 58.635 58.000 0.073 0.000 1.282 21 F CB -0.374 38.657 39.000 0.051 0.000 1.010 21 F HN 0.171 nan 8.300 nan 0.000 0.485 22 D N 0.474 121.056 120.400 0.302 0.000 2.123 22 D HA -0.138 4.502 4.640 0.001 0.000 0.196 22 D C 2.398 178.835 176.300 0.228 0.000 0.992 22 D CA 1.454 55.584 54.000 0.217 0.000 0.833 22 D CB -0.566 40.332 40.800 0.163 0.000 0.954 22 D HN 0.306 nan 8.370 nan 0.000 0.455 23 G N -0.588 108.403 108.800 0.318 0.000 2.509 23 G HA2 0.049 4.010 3.960 0.001 0.000 0.218 23 G HA3 0.049 4.010 3.960 0.001 0.000 0.218 23 G C 1.022 176.238 174.900 0.526 0.000 1.124 23 G CA 0.900 46.232 45.100 0.387 0.000 0.776 23 G HN 0.527 nan 8.290 nan 0.000 0.547 24 G N -1.443 107.613 108.800 0.427 0.000 2.327 24 G HA2 0.283 4.244 3.960 0.001 0.000 0.159 24 G HA3 0.283 4.244 3.960 0.001 0.000 0.159 24 G C 0.123 174.977 174.900 -0.076 0.000 1.056 24 G CA -0.038 45.203 45.100 0.235 0.000 0.751 24 G HN 1.181 nan 8.290 nan 0.000 0.488 25 A N -0.429 122.228 122.820 -0.271 0.000 2.409 25 A HA 0.792 5.113 4.320 0.001 0.000 0.267 25 A C 1.116 178.609 177.584 -0.151 0.000 1.127 25 A CA 0.291 51.969 52.037 -0.598 0.000 0.795 25 A CB 0.508 19.340 19.000 -0.279 0.000 1.061 25 A HN 0.431 nan 8.150 nan 0.000 0.502 26 R N 1.032 121.464 120.500 -0.113 0.000 2.404 26 R HA 0.301 4.642 4.340 0.001 0.000 0.237 26 R C 0.610 176.953 176.300 0.071 0.000 0.907 26 R CA 0.809 56.904 56.100 -0.007 0.000 1.063 26 R CB 1.168 31.480 30.300 0.019 0.000 1.134 26 R HN 0.871 nan 8.270 nan 0.000 0.529 27 G N -0.352 108.564 108.800 0.193 0.000 2.733 27 G HA2 0.581 4.541 3.960 0.001 0.000 0.297 27 G HA3 0.581 4.541 3.960 0.001 0.000 0.297 27 G C -1.751 173.489 174.900 0.567 0.000 1.422 27 G CA -0.532 44.767 45.100 0.331 0.000 0.942 27 G HN -0.010 nan 8.290 nan 0.000 0.510 28 L N 0.095 121.623 121.223 0.508 0.000 2.422 28 L HA 0.761 5.101 4.340 0.001 0.000 0.264 28 L C -1.466 175.751 176.870 0.577 0.000 0.984 28 L CA -0.632 54.524 54.840 0.527 0.000 0.819 28 L CB 3.006 45.269 42.059 0.340 0.000 1.330 28 L HN 0.599 nan 8.230 nan 0.000 0.410 29 W N 1.744 123.274 121.300 0.383 0.000 3.132 29 W HA 0.386 5.047 4.660 0.002 0.000 0.337 29 W C -0.459 176.124 176.519 0.107 0.000 1.082 29 W CA -0.242 57.250 57.345 0.244 0.000 1.242 29 W CB 1.809 31.470 29.460 0.336 0.000 1.354 29 W HN 0.363 nan 8.180 nan 0.000 0.461 30 E N 2.858 122.998 120.200 -0.101 0.000 2.366 30 E HA 0.266 4.617 4.350 0.001 0.000 0.266 30 E C 0.324 176.878 176.600 -0.078 0.000 1.051 30 E CA -0.027 56.313 56.400 -0.099 0.000 0.884 30 E CB 0.871 30.457 29.700 -0.190 0.000 1.006 30 E HN 0.310 nan 8.360 nan 0.000 0.417 31 R N 2.751 123.218 120.500 -0.055 0.000 2.772 31 R HA 0.047 4.387 4.340 0.001 0.000 0.358 31 R C -0.932 175.360 176.300 -0.013 0.000 1.143 31 R CA -0.115 55.956 56.100 -0.050 0.000 1.153 31 R CB 0.246 30.422 30.300 -0.207 0.000 1.329 31 R HN 0.581 nan 8.270 nan 0.000 0.615 32 E N -0.186 119.999 120.200 -0.025 0.000 2.360 32 E HA -0.237 4.114 4.350 0.001 0.000 0.238 32 E C 0.748 177.350 176.600 0.004 0.000 1.186 32 E CA 1.299 57.690 56.400 -0.014 0.000 0.719 32 E CB -1.328 28.368 29.700 -0.007 0.000 1.236 32 E HN 0.870 nan 8.360 nan 0.000 0.386 33 G N -1.490 107.317 108.800 0.011 0.000 2.902 33 G HA2 -0.102 3.859 3.960 0.001 0.000 0.215 33 G HA3 -0.102 3.859 3.960 0.001 0.000 0.215 33 G C 0.002 174.930 174.900 0.047 0.000 0.976 33 G CA -0.099 45.016 45.100 0.024 0.000 0.794 33 G HN 0.191 nan 8.290 nan 0.000 0.557 34 E N -0.885 119.355 120.200 0.067 0.000 2.446 34 E HA 0.696 5.047 4.350 0.001 0.000 0.276 34 E C -1.398 175.292 176.600 0.149 0.000 0.969 34 E CA -0.870 55.609 56.400 0.132 0.000 0.800 34 E CB 3.181 33.030 29.700 0.250 0.000 1.341 34 E HN 0.068 nan 8.360 nan 0.000 0.460 35 V N 1.147 121.206 119.914 0.241 0.000 2.709 35 V HA 0.406 4.527 4.120 0.001 0.000 0.308 35 V C -1.525 174.877 176.094 0.514 0.000 1.062 35 V CA -0.766 61.701 62.300 0.279 0.000 0.901 35 V CB 1.529 33.441 31.823 0.150 0.000 1.003 35 V HN 0.569 nan 8.190 nan 0.000 0.425 36 W N 2.508 123.903 121.300 0.159 0.000 2.587 36 W HA 0.812 5.473 4.660 0.001 0.000 0.324 36 W C -0.045 176.535 176.519 0.101 0.000 1.040 36 W CA -1.182 56.208 57.345 0.074 0.000 1.222 36 W CB 1.911 31.444 29.460 0.121 0.000 1.381 36 W HN 0.638 nan 8.180 nan 0.000 0.483 37 A N 4.202 127.120 122.820 0.163 0.000 2.291 37 A HA 0.803 5.124 4.320 0.001 0.000 0.311 37 A C -1.570 176.194 177.584 0.300 0.000 1.224 37 A CA -0.510 51.710 52.037 0.305 0.000 0.821 37 A CB 0.115 19.391 19.000 0.459 0.000 1.172 37 A HN 0.364 nan 8.150 nan 0.000 0.494 38 F N 1.756 121.940 119.950 0.390 0.000 2.421 38 F HA 0.749 5.277 4.527 0.001 0.000 0.337 38 F C -0.289 175.640 175.800 0.216 0.000 1.105 38 F CA -0.340 57.915 58.000 0.424 0.000 1.049 38 F CB 1.294 40.498 39.000 0.340 0.000 1.139 38 F HN 0.454 nan 8.300 nan 0.000 0.479 39 F N 2.412 122.666 119.950 0.507 0.000 2.613 39 F HA 0.423 4.951 4.527 0.001 0.000 0.314 39 F C -1.742 174.240 175.800 0.302 0.000 1.075 39 F CA -1.966 56.255 58.000 0.370 0.000 0.945 39 F CB 1.755 40.974 39.000 0.364 0.000 1.310 39 F HN 0.177 nan 8.300 nan 0.000 0.467 40 P HA 0.153 nan 4.420 nan 0.000 0.231 40 P C -0.475 176.945 177.300 0.199 0.000 1.168 40 P CA 0.731 63.987 63.100 0.259 0.000 0.779 40 P CB 0.724 32.524 31.700 0.167 0.000 0.844 41 A N 0.200 123.112 122.820 0.154 0.000 2.566 41 A HA 0.635 4.956 4.320 0.001 0.000 0.297 41 A C -3.014 174.311 177.584 -0.431 0.000 1.059 41 A CA -1.524 50.422 52.037 -0.151 0.000 0.691 41 A CB 1.063 19.970 19.000 -0.156 0.000 1.282 41 A HN -0.182 nan 8.150 nan 0.000 0.401 42 P HA 0.494 nan 4.420 nan 0.000 0.272 42 P C -0.144 176.415 177.300 -1.236 0.000 1.240 42 P CA 0.045 62.143 63.100 -1.670 0.000 0.791 42 P CB 1.067 31.511 31.700 -2.093 0.000 0.978 43 V N -2.866 116.257 119.914 -1.318 0.000 3.080 43 V HA 0.558 4.679 4.120 0.001 0.000 0.311 43 V C -1.111 174.775 176.094 -0.347 0.000 1.389 43 V CA -0.904 61.030 62.300 -0.610 0.000 1.049 43 V CB 1.349 32.968 31.823 -0.341 0.000 1.078 43 V HN 0.370 nan 8.190 nan 0.000 0.468 44 D N 0.432 120.731 120.400 -0.169 0.000 2.349 44 D HA 0.696 5.337 4.640 0.001 0.000 0.232 44 D C -0.991 175.275 176.300 -0.057 0.000 1.071 44 D CA -0.036 53.929 54.000 -0.058 0.000 0.832 44 D CB 0.859 41.614 40.800 -0.075 0.000 1.086 44 D HN 0.696 nan 8.370 nan 0.000 0.504 45 L N 5.194 126.397 121.223 -0.033 0.000 2.385 45 L HA 0.496 4.837 4.340 0.001 0.000 0.273 45 L C -1.847 174.905 176.870 -0.196 0.000 0.990 45 L CA -1.713 53.021 54.840 -0.177 0.000 0.821 45 L CB 2.326 44.205 42.059 -0.301 0.000 1.279 45 L HN 0.339 nan 8.230 nan 0.000 0.412 46 P HA 0.149 nan 4.420 nan 0.000 0.236 46 P C 0.053 177.162 177.300 -0.317 0.000 1.709 46 P CA 0.276 63.170 63.100 -0.342 0.000 0.942 46 P CB -0.127 31.368 31.700 -0.343 0.000 1.615 47 Y N 0.263 120.633 120.300 0.117 0.000 2.535 47 Y HA 0.194 4.745 4.550 0.001 0.000 0.266 47 Y C 0.824 176.783 175.900 0.098 0.000 1.088 47 Y CA -0.225 57.949 58.100 0.123 0.000 1.285 47 Y CB 0.487 39.055 38.460 0.180 0.000 1.166 47 Y HN -0.001 nan 8.280 nan 0.000 0.525 48 E N -0.229 120.112 120.200 0.236 0.000 3.368 48 E HA -0.080 4.271 4.350 0.001 0.000 0.345 48 E C 0.100 176.678 176.600 -0.037 0.000 0.839 48 E CA 0.090 56.544 56.400 0.090 0.000 1.208 48 E CB -1.399 28.338 29.700 0.061 0.000 1.565 48 E HN 0.481 nan 8.360 nan 0.000 0.386 49 G N 0.053 108.764 108.800 -0.148 0.000 2.552 49 G HA2 0.737 4.698 3.960 0.001 0.000 0.324 49 G HA3 0.737 4.698 3.960 0.001 0.000 0.324 49 G C -0.523 174.014 174.900 -0.606 0.000 1.217 49 G CA 0.006 44.671 45.100 -0.725 0.000 0.989 49 G HN 0.273 nan 8.290 nan 0.000 0.490 50 V N -1.328 118.166 119.914 -0.700 0.000 2.960 50 V HA 0.831 4.952 4.120 0.001 0.000 0.315 50 V C -1.619 174.220 176.094 -0.424 0.000 1.087 50 V CA -1.410 60.675 62.300 -0.359 0.000 0.982 50 V CB 1.938 33.637 31.823 -0.207 0.000 1.039 50 V HN 0.690 nan 8.190 nan 0.000 0.437 51 W N 2.679 123.999 121.300 0.034 0.000 2.478 51 W HA 0.729 5.390 4.660 0.001 0.000 0.318 51 W C 0.000 176.499 176.519 -0.033 0.000 1.062 51 W CA -0.125 57.312 57.345 0.154 0.000 1.210 51 W CB 1.316 31.034 29.460 0.430 0.000 1.325 51 W HN 0.707 nan 8.180 nan 0.000 0.496 52 E N 2.096 122.351 120.200 0.092 0.000 2.290 52 E HA 0.210 4.561 4.350 0.001 0.000 0.274 52 E C -1.254 175.045 176.600 -0.502 0.000 0.889 52 E CA -0.756 55.465 56.400 -0.299 0.000 0.760 52 E CB 1.452 30.959 29.700 -0.321 0.000 1.206 52 E HN 0.387 nan 8.360 nan 0.000 0.419 53 E N 1.902 121.604 120.200 -0.830 0.000 2.316 53 E HA 0.319 4.670 4.350 0.001 0.000 0.275 53 E C -0.159 176.231 176.600 -0.351 0.000 1.029 53 E CA -0.341 55.590 56.400 -0.782 0.000 0.871 53 E CB 1.299 30.512 29.700 -0.812 0.000 1.022 53 E HN 0.338 nan 8.360 nan 0.000 0.418 59 W N 0.142 121.476 121.300 0.057 0.000 3.292 59 W HA 0.324 4.985 4.660 0.001 0.000 0.263 59 W C 1.697 178.251 176.519 0.058 0.000 1.318 59 W CA -0.215 57.162 57.345 0.054 0.000 1.663 59 W CB 0.292 29.767 29.460 0.024 0.000 1.114 59 W HN 0.094 nan 8.180 nan 0.000 0.706 60 L N -1.420 119.941 121.223 0.229 0.000 2.624 60 L HA 0.060 4.401 4.340 0.001 0.000 0.222 60 L C 2.331 179.294 176.870 0.154 0.000 1.046 60 L CA 0.380 55.326 54.840 0.176 0.000 0.872 60 L CB -0.306 41.781 42.059 0.046 0.000 1.190 60 L HN -0.200 nan 8.230 nan 0.000 0.487 61 E N 1.528 121.759 120.200 0.051 0.000 2.118 61 E HA -0.211 4.139 4.350 0.001 0.000 0.195 61 E C 2.037 178.651 176.600 0.025 0.000 0.992 61 E CA 1.782 58.169 56.400 -0.020 0.000 0.804 61 E CB 0.014 29.676 29.700 -0.064 0.000 0.741 61 E HN 0.362 nan 8.360 nan 0.000 0.458 62 A N -0.474 122.393 122.820 0.079 0.000 1.969 62 A HA -0.123 4.197 4.320 0.001 0.000 0.218 62 A C 2.062 179.768 177.584 0.202 0.000 1.169 62 A CA 1.299 53.403 52.037 0.111 0.000 0.635 62 A CB -1.135 17.929 19.000 0.107 0.000 0.810 62 A HN 0.602 nan 8.150 nan 0.000 0.445 63 W N 0.317 121.675 121.300 0.097 0.000 2.407 63 W HA -0.101 4.560 4.660 0.001 0.000 0.305 63 W C 2.290 178.871 176.519 0.103 0.000 1.196 63 W CA 1.699 59.107 57.345 0.104 0.000 1.311 63 W CB -0.015 29.505 29.460 0.100 0.000 1.135 63 W HN 0.170 nan 8.180 nan 0.000 0.514 64 R N 0.164 120.835 120.500 0.285 0.000 2.105 64 R HA -0.137 4.204 4.340 0.001 0.000 0.239 64 R C 2.047 178.396 176.300 0.082 0.000 1.135 64 R CA 1.479 57.638 56.100 0.099 0.000 0.967 64 R CB -0.801 29.282 30.300 -0.361 0.000 0.861 64 R HN -0.026 nan 8.270 nan 0.000 0.442 65 R N 0.077 120.592 120.500 0.026 0.000 2.090 65 R HA 0.002 4.343 4.340 0.001 0.000 0.228 65 R C 1.219 177.572 176.300 0.089 0.000 1.110 65 R CA 1.299 57.437 56.100 0.063 0.000 0.973 65 R CB -0.413 29.900 30.300 0.021 0.000 0.869 65 R HN 0.169 nan 8.270 nan 0.000 0.440 66 D N -0.225 120.185 120.400 0.016 0.000 2.363 66 D HA -0.020 4.621 4.640 0.001 0.000 0.220 66 D C -0.029 176.218 176.300 -0.088 0.000 0.994 66 D CA 0.311 54.285 54.000 -0.043 0.000 0.890 66 D CB 0.127 40.866 40.800 -0.101 0.000 0.906 66 D HN 0.095 nan 8.370 nan 0.000 0.530 67 L N 1.249 122.448 121.223 -0.040 0.000 2.361 67 L HA 0.149 4.489 4.340 0.001 0.000 0.278 67 L C 0.122 177.125 176.870 0.223 0.000 1.113 67 L CA 0.070 54.907 54.840 -0.006 0.000 0.849 67 L CB 0.411 42.520 42.059 0.083 0.000 1.155 67 L HN -0.251 nan 8.230 nan 0.000 0.452 68 K N 5.458 125.899 120.400 0.069 0.000 2.208 68 K HA 0.518 4.839 4.320 0.001 0.000 0.247 68 K C -2.369 174.172 176.600 -0.099 0.000 0.953 68 K CA -1.797 54.468 56.287 -0.036 0.000 0.837 68 K CB 1.414 33.898 32.500 -0.027 0.000 1.131 68 K HN 0.363 nan 8.250 nan 0.000 0.431 69 P HA 0.007 nan 4.420 nan 0.000 0.269 69 P C -1.389 175.781 177.300 -0.216 0.000 1.215 69 P CA -0.231 62.682 63.100 -0.312 0.000 0.780 69 P CB 0.603 31.971 31.700 -0.552 0.000 0.898 70 A N 3.520 126.221 122.820 -0.198 0.000 2.256 70 A HA 0.415 4.736 4.320 0.001 0.000 0.317 70 A C -0.229 177.257 177.584 -0.164 0.000 1.318 70 A CA -0.659 51.297 52.037 -0.135 0.000 0.894 70 A CB -0.303 18.648 19.000 -0.082 0.000 1.165 70 A HN 0.513 nan 8.150 nan 0.000 0.525 71 L N 2.220 123.366 121.223 -0.128 0.000 2.360 71 L HA 0.452 4.793 4.340 0.001 0.000 0.276 71 L C 0.709 177.566 176.870 -0.023 0.000 1.121 71 L CA 0.009 54.794 54.840 -0.091 0.000 0.845 71 L CB 1.433 43.476 42.059 -0.026 0.000 1.143 71 L HN 0.799 nan 8.230 nan 0.000 0.452 72 A N 5.427 128.257 122.820 0.017 0.000 3.370 72 A HA 0.492 4.813 4.320 0.001 0.000 0.295 72 A C -2.493 175.166 177.584 0.124 0.000 1.030 72 A CA -1.167 50.915 52.037 0.076 0.000 0.883 72 A CB 0.112 19.167 19.000 0.092 0.000 1.191 72 A HN 0.389 nan 8.150 nan 0.000 0.507 73 P HA -0.009 nan 4.420 nan 0.000 0.263 73 P C -1.681 175.590 177.300 -0.047 0.000 1.168 73 P CA -0.278 62.816 63.100 -0.010 0.000 0.759 73 P CB 0.605 32.301 31.700 -0.006 0.000 0.782 74 P HA 0.001 nan 4.420 nan 0.000 0.245 74 P C -0.250 176.784 177.300 -0.443 0.000 1.212 74 P CA 0.587 63.470 63.100 -0.362 0.000 0.774 74 P CB 0.181 31.596 31.700 -0.474 0.000 0.999 75 F N -0.146 119.779 119.950 -0.042 0.000 2.371 75 F HA 0.351 4.879 4.527 0.001 0.000 0.329 75 F C 0.837 176.549 175.800 -0.147 0.000 1.107 75 F CA -0.972 56.980 58.000 -0.080 0.000 1.137 75 F CB 1.109 40.063 39.000 -0.076 0.000 1.214 75 F HN -0.343 nan 8.300 nan 0.000 0.536 76 V N 3.698 123.591 119.914 -0.035 0.000 2.540 76 V HA 0.546 4.667 4.120 0.001 0.000 0.302 76 V C -1.065 174.894 176.094 -0.225 0.000 1.035 76 V CA -0.716 61.401 62.300 -0.306 0.000 0.873 76 V CB 1.877 33.180 31.823 -0.866 0.000 0.992 76 V HN 0.514 nan 8.190 nan 0.000 0.428 77 V N 8.319 128.103 119.914 -0.216 0.000 2.364 77 V HA 0.481 4.601 4.120 0.001 0.000 0.272 77 V C -0.101 175.892 176.094 -0.168 0.000 1.036 77 V CA -0.294 61.910 62.300 -0.161 0.000 0.880 77 V CB 1.153 32.901 31.823 -0.124 0.000 0.991 77 V HN 0.678 nan 8.190 nan 0.000 0.460 78 L N 4.397 125.540 121.223 -0.135 0.000 2.362 78 L HA 0.770 5.111 4.340 0.001 0.000 0.275 78 L C 0.487 177.236 176.870 -0.202 0.000 0.998 78 L CA -0.606 54.196 54.840 -0.062 0.000 0.820 78 L CB 1.911 43.924 42.059 -0.077 0.000 1.270 78 L HN 0.693 nan 8.230 nan 0.000 0.415 79 A N 3.929 126.466 122.820 -0.472 0.000 2.366 79 A HA 0.390 4.711 4.320 0.001 0.000 0.249 79 A C -1.702 175.342 177.584 -0.900 0.000 1.084 79 A CA -0.982 50.443 52.037 -1.021 0.000 0.794 79 A CB -0.059 17.720 19.000 -2.035 0.000 1.034 79 A HN 0.647 nan 8.150 nan 0.000 0.491 80 P HA -0.177 nan 4.420 nan 0.000 0.217 80 P C 0.791 178.023 177.300 -0.112 0.000 1.148 80 P CA 2.183 65.138 63.100 -0.243 0.000 0.834 80 P CB -0.048 31.647 31.700 -0.008 0.000 0.783 81 W N -2.469 118.788 121.300 -0.071 0.000 3.290 81 W HA 0.236 4.896 4.660 0.001 0.000 0.287 81 W C 0.246 176.800 176.519 0.058 0.000 1.288 81 W CA -0.437 56.897 57.345 -0.018 0.000 1.725 81 W CB -1.783 27.661 29.460 -0.026 0.000 1.103 81 W HN -0.016 nan 8.180 nan 0.000 0.670 82 H N 1.027 119.972 119.070 -0.208 0.000 2.652 82 H HA 0.240 4.797 4.556 0.001 0.000 0.349 82 H C 0.182 175.561 175.328 0.086 0.000 1.099 82 H CA 0.183 56.204 56.048 -0.045 0.000 1.417 82 H CB 1.369 31.056 29.762 -0.126 0.000 1.457 82 H HN -0.194 nan 8.280 nan 0.000 0.568 83 T N 4.550 119.279 114.554 0.291 0.000 2.758 83 T HA 0.186 4.537 4.350 0.001 0.000 0.285 83 T C -1.299 173.558 174.700 0.262 0.000 0.981 83 T CA -0.589 61.642 62.100 0.217 0.000 0.965 83 T CB 0.309 69.263 68.868 0.144 0.000 0.927 83 T HN 0.475 nan 8.240 nan 0.000 0.448 84 W N 3.994 125.306 121.300 0.020 0.000 3.127 84 W HA 0.351 5.012 4.660 0.001 0.000 0.330 84 W C -0.374 176.146 176.519 0.002 0.000 1.187 84 W CA -0.803 56.541 57.345 -0.003 0.000 1.198 84 W CB 2.115 31.567 29.460 -0.014 0.000 1.408 84 W HN 0.837 nan 8.180 nan 0.000 0.529 85 E N 1.627 121.624 120.200 -0.339 0.000 2.256 85 E HA 0.213 4.564 4.350 0.001 0.000 0.198 85 E C 1.254 177.794 176.600 -0.101 0.000 0.908 85 E CA 0.671 56.912 56.400 -0.266 0.000 0.915 85 E CB 0.876 30.276 29.700 -0.501 0.000 0.890 85 E HN 0.482 nan 8.360 nan 0.000 0.484 86 G N 0.416 109.194 108.800 -0.036 0.000 2.477 86 G HA2 0.442 4.403 3.960 0.001 0.000 0.197 86 G HA3 0.442 4.403 3.960 0.001 0.000 0.197 86 G C 0.763 175.710 174.900 0.079 0.000 1.860 86 G CA 0.280 45.391 45.100 0.020 0.000 0.714 86 G HN 0.209 nan 8.290 nan 0.000 0.782 87 A N 0.127 123.006 122.820 0.099 0.000 2.508 87 A HA 0.412 4.733 4.320 0.001 0.000 0.250 87 A C 0.676 178.297 177.584 0.061 0.000 1.208 87 A CA 0.139 52.216 52.037 0.066 0.000 0.960 87 A CB 0.003 19.021 19.000 0.030 0.000 1.099 87 A HN 0.411 nan 8.150 nan 0.000 0.542 88 E N 0.316 120.587 120.200 0.118 0.000 2.374 88 E HA 0.339 4.690 4.350 0.001 0.000 0.260 88 E C -0.685 175.918 176.600 0.005 0.000 1.101 88 E CA -0.468 55.954 56.400 0.036 0.000 0.907 88 E CB 0.890 30.617 29.700 0.045 0.000 1.014 88 E HN 0.318 nan 8.360 nan 0.000 0.427 89 I N 3.083 123.605 120.570 -0.080 0.000 2.452 89 I HA 0.088 4.258 4.170 0.001 0.000 0.287 89 I C -1.846 174.319 176.117 0.080 0.000 1.079 89 I CA -1.728 59.562 61.300 -0.017 0.000 1.387 89 I CB 0.639 38.577 38.000 -0.103 0.000 1.404 89 I HN 0.253 nan 8.210 nan 0.000 0.522 90 P HA 0.287 nan 4.420 nan 0.000 0.281 90 P C -1.070 176.260 177.300 0.051 0.000 1.249 90 P CA -0.468 62.647 63.100 0.024 0.000 0.810 90 P CB 1.595 33.314 31.700 0.032 0.000 1.008 91 L N 2.604 123.822 121.223 -0.008 0.000 2.471 91 L HA 0.242 4.583 4.340 0.001 0.000 0.263 91 L C -0.425 176.405 176.870 -0.065 0.000 0.985 91 L CA -0.665 54.158 54.840 -0.028 0.000 0.868 91 L CB 1.491 43.507 42.059 -0.073 0.000 1.203 91 L HN 0.079 nan 8.230 nan 0.000 0.429 92 V N 5.099 124.982 119.914 -0.051 0.000 2.408 92 V HA 0.473 4.593 4.120 0.001 0.000 0.267 92 V C 0.118 176.161 176.094 -0.085 0.000 1.047 92 V CA -0.200 62.053 62.300 -0.078 0.000 0.937 92 V CB 1.099 32.889 31.823 -0.054 0.000 0.999 92 V HN 0.361 nan 8.190 nan 0.000 0.472 93 I N 3.761 124.259 120.570 -0.121 0.000 2.499 93 I HA 0.403 4.574 4.170 0.001 0.000 0.288 93 I C 0.097 176.132 176.117 -0.136 0.000 1.048 93 I CA -0.801 60.434 61.300 -0.108 0.000 1.062 93 I CB 1.923 39.866 38.000 -0.095 0.000 1.238 93 I HN 0.510 nan 8.210 nan 0.000 0.426 94 E N 6.902 127.047 120.200 -0.092 0.000 2.324 94 E HA 0.260 4.611 4.350 0.001 0.000 0.271 94 E C -2.245 174.350 176.600 -0.008 0.000 1.028 94 E CA -1.399 54.969 56.400 -0.054 0.000 0.890 94 E CB 0.998 30.695 29.700 -0.005 0.000 1.004 94 E HN 0.232 nan 8.360 nan 0.000 0.431 95 P HA 0.280 nan 4.420 nan 0.000 0.271 95 P C -0.369 176.994 177.300 0.106 0.000 1.226 95 P CA -0.122 63.065 63.100 0.144 0.000 0.765 95 P CB 0.996 32.913 31.700 0.362 0.000 0.835 105 E N 0.518 120.353 120.200 -0.608 0.000 2.130 105 E HA -0.168 4.183 4.350 0.001 0.000 0.196 105 E C 1.911 178.361 176.600 -0.249 0.000 0.998 105 E CA 2.614 58.798 56.400 -0.360 0.000 0.806 105 E CB 0.100 29.628 29.700 -0.286 0.000 0.738 105 E HN 0.704 nan 8.360 nan 0.000 0.459 106 T N -2.764 111.615 114.554 -0.291 0.000 2.896 106 T HA -0.074 4.277 4.350 0.001 0.000 0.263 106 T C 2.008 176.672 174.700 -0.061 0.000 1.050 106 T CA 1.425 63.447 62.100 -0.131 0.000 1.140 106 T CB -0.589 68.168 68.868 -0.186 0.000 0.877 106 T HN 0.010 nan 8.240 nan 0.000 0.457 107 T N 1.375 115.902 114.554 -0.045 0.000 2.746 107 T HA -0.000 4.350 4.350 0.001 0.000 0.267 107 T C 2.063 176.723 174.700 -0.067 0.000 1.039 107 T CA 1.136 63.199 62.100 -0.062 0.000 1.142 107 T CB -0.279 68.552 68.868 -0.061 0.000 0.866 107 T HN 0.351 nan 8.240 nan 0.000 0.444 108 R N 0.363 120.831 120.500 -0.054 0.000 2.096 108 R HA 0.025 4.365 4.340 0.001 0.000 0.235 108 R C 2.353 178.649 176.300 -0.006 0.000 1.127 108 R CA 1.034 57.115 56.100 -0.032 0.000 0.968 108 R CB -0.372 29.909 30.300 -0.031 0.000 0.861 108 R HN 0.375 nan 8.270 nan 0.000 0.440 109 L N -0.349 120.868 121.223 -0.009 0.000 2.093 109 L HA -0.098 4.243 4.340 0.001 0.000 0.208 109 L C 2.602 179.481 176.870 0.014 0.000 1.085 109 L CA 1.164 56.014 54.840 0.015 0.000 0.755 109 L CB -0.410 41.663 42.059 0.024 0.000 0.904 109 L HN 0.259 nan 8.230 nan 0.000 0.435 110 A N 0.059 122.871 122.820 -0.015 0.000 1.898 110 A HA -0.135 4.186 4.320 0.001 0.000 0.216 110 A C 2.240 179.809 177.584 -0.025 0.000 1.181 110 A CA 1.228 53.248 52.037 -0.027 0.000 0.620 110 A CB -0.628 18.340 19.000 -0.054 0.000 0.819 110 A HN 0.328 nan 8.150 nan 0.000 0.442 111 L N -0.465 120.723 121.223 -0.059 0.000 2.017 111 L HA -0.229 4.112 4.340 0.001 0.000 0.208 111 L C 2.591 179.578 176.870 0.195 0.000 1.073 111 L CA 1.817 56.602 54.840 -0.091 0.000 0.745 111 L CB -0.461 41.444 42.059 -0.257 0.000 0.894 111 L HN 0.373 nan 8.230 nan 0.000 0.432 112 K N 0.036 120.537 120.400 0.169 0.000 2.057 112 K HA -0.106 4.215 4.320 0.001 0.000 0.206 112 K C 2.232 178.926 176.600 0.157 0.000 1.050 112 K CA 1.310 57.700 56.287 0.172 0.000 0.935 112 K CB -0.280 32.284 32.500 0.107 0.000 0.715 112 K HN 0.270 nan 8.250 nan 0.000 0.439 113 A N 1.793 124.698 122.820 0.141 0.000 1.933 113 A HA -0.112 4.209 4.320 0.001 0.000 0.218 113 A C 2.172 179.915 177.584 0.265 0.000 1.175 113 A CA 1.110 53.269 52.037 0.203 0.000 0.628 113 A CB -0.616 18.433 19.000 0.081 0.000 0.814 113 A HN 0.145 nan 8.150 nan 0.000 0.444 114 L N -0.822 120.501 121.223 0.166 0.000 2.012 114 L HA -0.237 4.104 4.340 0.001 0.000 0.210 114 L C 3.131 180.116 176.870 0.192 0.000 1.073 114 L CA 1.184 56.121 54.840 0.162 0.000 0.748 114 L CB -0.544 41.585 42.059 0.116 0.000 0.891 114 L HN 0.461 nan 8.230 nan 0.000 0.431 115 A N -0.262 122.691 122.820 0.223 0.000 1.902 115 A HA -0.191 4.130 4.320 0.001 0.000 0.217 115 A C 2.362 179.970 177.584 0.039 0.000 1.181 115 A CA 1.282 53.395 52.037 0.127 0.000 0.623 115 A CB -0.417 18.626 19.000 0.072 0.000 0.818 115 A HN 0.289 nan 8.150 nan 0.000 0.443 116 R N -0.779 119.734 120.500 0.022 0.000 2.081 116 R HA -0.099 4.242 4.340 0.001 0.000 0.235 116 R C 1.508 177.645 176.300 -0.272 0.000 1.131 116 R CA 1.651 57.652 56.100 -0.165 0.000 0.960 116 R CB -0.572 29.552 30.300 -0.293 0.000 0.856 116 R HN 0.740 nan 8.270 nan 0.000 0.436 117 H N -1.002 118.083 119.070 0.025 0.000 2.622 117 H HA 0.138 4.694 4.556 0.001 0.000 0.269 117 H C 0.043 175.388 175.328 0.028 0.000 0.977 117 H CA -0.325 55.736 56.048 0.022 0.000 1.179 117 H CB 0.520 30.292 29.762 0.017 0.000 1.458 117 H HN -0.045 nan 8.280 nan 0.000 0.531 118 L N 2.285 123.579 121.223 0.117 0.000 2.275 118 L HA 0.323 4.664 4.340 0.001 0.000 0.288 118 L C -0.406 176.497 176.870 0.056 0.000 1.046 118 L CA -0.685 54.210 54.840 0.091 0.000 0.805 118 L CB 0.950 43.065 42.059 0.094 0.000 1.193 118 L HN -0.108 nan 8.230 nan 0.000 0.426 119 R N 5.703 126.235 120.500 0.052 0.000 2.295 119 R HA 0.516 4.856 4.340 0.001 0.000 0.324 119 R C -2.384 173.937 176.300 0.034 0.000 0.968 119 R CA -1.967 54.154 56.100 0.035 0.000 0.837 119 R CB 0.361 30.681 30.300 0.033 0.000 1.133 119 R HN 0.445 nan 8.270 nan 0.000 0.450 120 P HA -0.036 nan 4.420 nan 0.000 0.257 120 P C 0.670 177.984 177.300 0.024 0.000 1.162 120 P CA 1.309 64.424 63.100 0.025 0.000 0.762 120 P CB 0.561 32.271 31.700 0.017 0.000 0.753 121 G N 2.430 111.245 108.800 0.026 0.000 2.259 121 G HA2 -0.184 3.777 3.960 0.001 0.000 0.217 121 G HA3 -0.184 3.777 3.960 0.001 0.000 0.217 121 G C 0.022 174.941 174.900 0.032 0.000 1.001 121 G CA -0.396 44.718 45.100 0.024 0.000 0.627 121 G HN 0.490 nan 8.290 nan 0.000 0.501 122 D N 1.745 122.171 120.400 0.043 0.000 2.548 122 D HA 0.307 4.948 4.640 0.001 0.000 0.231 122 D C 0.780 177.126 176.300 0.076 0.000 1.142 122 D CA 0.671 54.708 54.000 0.061 0.000 0.866 122 D CB 0.495 41.338 40.800 0.071 0.000 1.190 122 D HN 0.429 nan 8.370 nan 0.000 0.469 123 K N 1.009 121.470 120.400 0.103 0.000 2.276 123 K HA 0.371 4.692 4.320 0.001 0.000 0.285 123 K C -0.686 176.108 176.600 0.324 0.000 1.062 123 K CA -0.604 55.791 56.287 0.181 0.000 0.918 123 K CB 1.229 33.787 32.500 0.097 0.000 1.055 123 K HN 0.090 nan 8.250 nan 0.000 0.477 124 V N 4.490 124.556 119.914 0.254 0.000 2.417 124 V HA 0.244 4.364 4.120 0.001 0.000 0.291 124 V C -0.703 175.331 176.094 -0.100 0.000 1.024 124 V CA -1.011 61.348 62.300 0.098 0.000 0.861 124 V CB 1.353 33.189 31.823 0.020 0.000 0.985 124 V HN 0.519 nan 8.190 nan 0.000 0.436 125 L N 4.286 125.258 121.223 -0.419 0.000 2.265 125 L HA 0.580 4.921 4.340 0.001 0.000 0.289 125 L C -0.420 176.264 176.870 -0.310 0.000 1.033 125 L CA 0.037 54.486 54.840 -0.652 0.000 0.814 125 L CB 1.113 42.497 42.059 -1.124 0.000 1.203 125 L HN 0.692 nan 8.230 nan 0.000 0.423 126 D N 4.420 124.696 120.400 -0.207 0.000 2.359 126 D HA 0.273 4.913 4.640 0.001 0.000 0.230 126 D C -1.159 175.090 176.300 -0.085 0.000 1.118 126 D CA -0.232 53.699 54.000 -0.115 0.000 0.844 126 D CB 0.879 41.647 40.800 -0.053 0.000 1.059 126 D HN 0.396 nan 8.370 nan 0.000 0.493 127 L N 3.885 125.063 121.223 -0.075 0.000 2.265 127 L HA 0.603 4.943 4.340 0.001 0.000 0.289 127 L C 0.749 177.615 176.870 -0.006 0.000 1.033 127 L CA 0.246 55.065 54.840 -0.035 0.000 0.814 127 L CB 1.007 43.054 42.059 -0.019 0.000 1.203 127 L HN 0.634 nan 8.230 nan 0.000 0.423 128 G N 2.512 111.316 108.800 0.007 0.000 2.370 128 G HA2 -0.283 3.677 3.960 0.001 0.000 0.268 128 G HA3 -0.283 3.677 3.960 0.001 0.000 0.268 128 G C 0.610 175.511 174.900 0.002 0.000 1.122 128 G CA 0.391 45.495 45.100 0.006 0.000 0.963 128 G HN 0.796 nan 8.290 nan 0.000 0.500 129 T N -0.799 113.768 114.554 0.021 0.000 2.985 129 T HA 0.353 4.704 4.350 0.001 0.000 0.266 129 T C 2.574 177.271 174.700 -0.005 0.000 1.076 129 T CA 2.637 64.762 62.100 0.042 0.000 1.135 129 T CB -0.542 68.424 68.868 0.162 0.000 0.890 129 T HN 2.360 nan 8.240 nan 0.000 0.480 130 G N 0.827 109.604 108.800 -0.037 0.000 2.634 130 G HA2 -0.412 3.549 3.960 0.001 0.000 0.318 130 G HA3 -0.412 3.549 3.960 0.001 0.000 0.318 130 G C 1.350 176.174 174.900 -0.126 0.000 1.207 130 G CA 1.639 46.695 45.100 -0.074 0.000 0.987 130 G HN 1.165 nan 8.290 nan 0.000 0.547 131 S N 1.329 116.961 115.700 -0.114 0.000 2.507 131 S HA 0.311 4.782 4.470 0.001 0.000 0.235 131 S C 2.473 176.975 174.600 -0.164 0.000 0.988 131 S CA 1.606 59.723 58.200 -0.138 0.000 0.944 131 S CB -0.306 62.837 63.200 -0.096 0.000 0.762 131 S HN 2.843 nan 8.310 nan 0.000 0.526 132 G N 0.035 108.773 108.800 -0.104 0.000 2.159 132 G HA2 -0.316 3.644 3.960 0.001 0.000 0.256 132 G HA3 -0.316 3.644 3.960 0.001 0.000 0.256 132 G C 0.732 175.679 174.900 0.078 0.000 0.977 132 G CA 0.433 45.561 45.100 0.046 0.000 0.652 132 G HN 0.932 nan 8.290 nan 0.000 0.531 133 V N 0.420 120.322 119.914 -0.020 0.000 2.380 133 V HA -0.136 3.985 4.120 0.001 0.000 0.251 133 V C 2.578 178.617 176.094 -0.092 0.000 1.063 133 V CA 2.850 65.111 62.300 -0.065 0.000 1.055 133 V CB -0.167 31.595 31.823 -0.101 0.000 0.657 133 V HN 0.553 nan 8.190 nan 0.000 0.455 134 L N -0.609 120.572 121.223 -0.070 0.000 2.375 134 L HA 0.158 4.498 4.340 0.001 0.000 0.215 134 L C 2.567 179.403 176.870 -0.057 0.000 1.108 134 L CA 0.937 55.718 54.840 -0.099 0.000 0.830 134 L CB -0.618 41.389 42.059 -0.086 0.000 0.959 134 L HN 0.378 nan 8.230 nan 0.000 0.457 135 A N 0.381 123.205 122.820 0.007 0.000 1.970 135 A HA -0.032 4.289 4.320 0.001 0.000 0.216 135 A C 2.168 179.743 177.584 -0.014 0.000 1.170 135 A CA 0.810 52.836 52.037 -0.018 0.000 0.645 135 A CB -0.313 18.667 19.000 -0.033 0.000 0.816 135 A HN 0.278 nan 8.150 nan 0.000 0.447 136 I N -0.116 120.478 120.570 0.040 0.000 2.163 136 I HA -0.258 3.913 4.170 0.001 0.000 0.240 136 I C 3.007 179.120 176.117 -0.007 0.000 1.081 136 I CA 1.033 62.351 61.300 0.031 0.000 1.353 136 I CB -0.422 37.604 38.000 0.044 0.000 1.054 136 I HN 0.335 nan 8.210 nan 0.000 0.407 137 A N 0.995 123.762 122.820 -0.088 0.000 1.892 137 A HA -0.276 4.045 4.320 0.001 0.000 0.218 137 A C 2.559 180.168 177.584 0.042 0.000 1.188 137 A CA 2.309 54.268 52.037 -0.130 0.000 0.631 137 A CB -1.063 17.620 19.000 -0.528 0.000 0.822 137 A HN 0.460 nan 8.150 nan 0.000 0.447 138 A N -0.658 122.165 122.820 0.006 0.000 1.908 138 A HA -0.204 4.117 4.320 0.001 0.000 0.218 138 A C 1.960 179.573 177.584 0.047 0.000 1.181 138 A CA 1.796 53.857 52.037 0.039 0.000 0.627 138 A CB -0.484 18.519 19.000 0.005 0.000 0.818 138 A HN 0.551 nan 8.150 nan 0.000 0.445 139 E N 0.024 120.239 120.200 0.025 0.000 2.106 139 E HA -0.155 4.195 4.350 0.001 0.000 0.192 139 E C 1.898 178.527 176.600 0.048 0.000 0.984 139 E CA 0.950 57.363 56.400 0.023 0.000 0.806 139 E CB -0.232 29.469 29.700 0.002 0.000 0.750 139 E HN 0.513 nan 8.360 nan 0.000 0.458 140 K N 0.580 121.028 120.400 0.079 0.000 2.097 140 K HA -0.064 4.257 4.320 0.001 0.000 0.206 140 K C 2.175 178.829 176.600 0.090 0.000 1.049 140 K CA 0.633 56.980 56.287 0.100 0.000 0.933 140 K CB -0.252 32.348 32.500 0.168 0.000 0.717 140 K HN 0.200 nan 8.250 nan 0.000 0.442 141 L N -0.129 121.163 121.223 0.114 0.000 2.610 141 L HA 0.042 4.383 4.340 0.001 0.000 0.232 141 L C 1.268 178.169 176.870 0.052 0.000 1.149 141 L CA 0.524 55.414 54.840 0.083 0.000 0.872 141 L CB -0.211 41.923 42.059 0.125 0.000 0.992 141 L HN 0.416 nan 8.230 nan 0.000 0.447 142 G N -0.772 108.055 108.800 0.046 0.000 2.195 142 G HA2 -0.205 3.756 3.960 0.001 0.000 0.224 142 G HA3 -0.205 3.756 3.960 0.001 0.000 0.224 142 G C 0.582 175.501 174.900 0.032 0.000 0.990 142 G CA -0.328 44.792 45.100 0.032 0.000 0.639 142 G HN 0.503 nan 8.290 nan 0.000 0.514 143 G N -0.293 108.530 108.800 0.039 0.000 2.572 143 G HA2 0.530 4.491 3.960 0.001 0.000 0.261 143 G HA3 0.530 4.491 3.960 0.001 0.000 0.261 143 G C -0.360 174.554 174.900 0.024 0.000 1.197 143 G CA -0.261 44.862 45.100 0.038 0.000 0.870 143 G HN 0.282 nan 8.290 nan 0.000 0.548 144 K N 0.321 120.739 120.400 0.029 0.000 2.404 144 K HA 0.576 4.897 4.320 0.001 0.000 0.257 144 K C -0.058 176.556 176.600 0.022 0.000 1.026 144 K CA -0.102 56.193 56.287 0.014 0.000 0.951 144 K CB 1.480 33.989 32.500 0.014 0.000 1.203 144 K HN 0.595 nan 8.250 nan 0.000 0.446 145 A N 3.133 125.930 122.820 -0.037 0.000 2.292 145 A HA 0.596 4.917 4.320 0.001 0.000 0.319 145 A C -1.185 176.312 177.584 -0.145 0.000 1.206 145 A CA -0.672 51.322 52.037 -0.071 0.000 0.835 145 A CB 0.439 19.374 19.000 -0.107 0.000 1.164 145 A HN 0.608 nan 8.150 nan 0.000 0.505 146 L N 2.719 123.882 121.223 -0.101 0.000 2.295 146 L HA 0.746 5.087 4.340 0.001 0.000 0.285 146 L C 0.370 177.117 176.870 -0.205 0.000 1.035 146 L CA 0.072 54.810 54.840 -0.169 0.000 0.806 146 L CB 1.512 43.566 42.059 -0.010 0.000 1.214 146 L HN 0.675 nan 8.230 nan 0.000 0.426 147 G N 4.998 113.654 108.800 -0.239 0.000 2.417 147 G HA2 0.593 4.554 3.960 0.001 0.000 0.320 147 G HA3 0.593 4.554 3.960 0.001 0.000 0.320 147 G C -1.091 173.874 174.900 0.110 0.000 1.204 147 G CA -0.348 44.754 45.100 0.003 0.000 0.923 147 G HN 0.795 nan 8.290 nan 0.000 0.466 148 V N -0.128 119.825 119.914 0.066 0.000 2.769 148 V HA 0.833 4.954 4.120 0.001 0.000 0.312 148 V C -0.887 175.249 176.094 0.069 0.000 1.058 148 V CA -1.130 61.216 62.300 0.076 0.000 0.952 148 V CB 2.230 34.085 31.823 0.053 0.000 1.019 148 V HN 0.619 nan 8.190 nan 0.000 0.445 149 D N 0.919 121.355 120.400 0.059 0.000 2.661 149 D HA 0.422 5.063 4.640 0.001 0.000 0.228 149 D C 0.406 176.722 176.300 0.027 0.000 1.210 149 D CA -0.318 53.700 54.000 0.031 0.000 0.826 149 D CB 2.609 43.415 40.800 0.010 0.000 1.542 149 D HN 0.683 nan 8.370 nan 0.000 0.447 150 I N -1.122 119.459 120.570 0.019 0.000 3.226 150 I HA 0.238 4.409 4.170 0.001 0.000 0.277 150 I C 0.556 176.679 176.117 0.009 0.000 1.243 150 I CA 0.078 61.389 61.300 0.019 0.000 1.459 150 I CB 0.147 38.158 38.000 0.019 0.000 1.093 150 I HN 0.013 nan 8.210 nan 0.000 0.453 151 D N 3.413 123.813 120.400 -0.000 0.000 2.347 151 D HA 0.208 4.849 4.640 0.001 0.000 0.235 151 D C -1.562 174.729 176.300 -0.015 0.000 1.149 151 D CA -2.757 51.237 54.000 -0.010 0.000 0.850 151 D CB 1.458 42.246 40.800 -0.020 0.000 1.061 151 D HN 0.072 nan 8.370 nan 0.000 0.487 152 P HA -0.031 nan 4.420 nan 0.000 0.236 152 P C 1.318 178.603 177.300 -0.026 0.000 1.177 152 P CA 0.306 63.400 63.100 -0.011 0.000 0.773 152 P CB 0.293 31.993 31.700 -0.000 0.000 0.878 153 M N -0.179 119.403 119.600 -0.031 0.000 2.492 153 M HA -0.026 4.455 4.480 0.001 0.000 0.262 153 M C 2.002 178.267 176.300 -0.058 0.000 1.090 153 M CA 0.989 56.266 55.300 -0.039 0.000 1.110 153 M CB -0.826 31.755 32.600 -0.032 0.000 1.407 153 M HN -0.078 nan 8.290 nan 0.000 0.470 154 V N -2.413 117.459 119.914 -0.069 0.000 2.719 154 V HA -0.122 3.999 4.120 0.001 0.000 0.252 154 V C 2.067 178.065 176.094 -0.160 0.000 1.065 154 V CA 0.937 63.175 62.300 -0.104 0.000 1.086 154 V CB -1.030 30.732 31.823 -0.102 0.000 0.700 154 V HN 0.335 nan 8.190 nan 0.000 0.467 155 L N 0.138 121.277 121.223 -0.139 0.000 2.017 155 L HA -0.041 4.300 4.340 0.001 0.000 0.208 155 L C 0.316 177.062 176.870 -0.207 0.000 1.073 155 L CA 1.901 56.625 54.840 -0.193 0.000 0.745 155 L CB -2.063 39.953 42.059 -0.072 0.000 0.894 155 L HN 0.343 nan 8.230 nan 0.000 0.432 156 P HA -0.216 nan 4.420 nan 0.000 0.218 156 P C 1.444 178.669 177.300 -0.125 0.000 1.148 156 P CA 1.195 64.238 63.100 -0.095 0.000 0.822 156 P CB 0.064 31.730 31.700 -0.056 0.000 0.784 157 Q N 0.025 119.738 119.800 -0.145 0.000 2.123 157 Q HA -0.048 4.293 4.340 0.001 0.000 0.199 157 Q C 2.037 177.899 176.000 -0.231 0.000 0.966 157 Q CA 1.781 57.496 55.803 -0.147 0.000 0.845 157 Q CB -1.273 27.395 28.738 -0.118 0.000 0.907 157 Q HN 0.098 nan 8.270 nan 0.000 0.439 158 A N 0.308 122.890 122.820 -0.395 0.000 1.902 158 A HA -0.218 4.103 4.320 0.001 0.000 0.217 158 A C 1.935 179.131 177.584 -0.647 0.000 1.181 158 A CA 1.660 53.265 52.037 -0.720 0.000 0.623 158 A CB -0.584 17.605 19.000 -1.352 0.000 0.818 158 A HN 0.546 nan 8.150 nan 0.000 0.443 159 E N -0.242 119.699 120.200 -0.431 0.000 2.058 159 E HA -0.132 4.219 4.350 0.001 0.000 0.194 159 E C 2.337 178.916 176.600 -0.034 0.000 0.997 159 E CA 1.085 57.431 56.400 -0.089 0.000 0.801 159 E CB -0.339 29.346 29.700 -0.025 0.000 0.746 159 E HN 0.610 nan 8.360 nan 0.000 0.450 160 A N 1.663 124.444 122.820 -0.065 0.000 1.948 160 A HA -0.265 4.056 4.320 0.001 0.000 0.220 160 A C 1.850 179.418 177.584 -0.027 0.000 1.177 160 A CA 1.804 53.820 52.037 -0.036 0.000 0.636 160 A CB -0.534 18.442 19.000 -0.041 0.000 0.815 160 A HN 0.166 nan 8.150 nan 0.000 0.449 161 N N 0.093 118.761 118.700 -0.052 0.000 2.216 161 N HA -0.025 4.716 4.740 0.001 0.000 0.183 161 N C 1.909 177.428 175.510 0.016 0.000 1.017 161 N CA 1.376 54.407 53.050 -0.032 0.000 0.861 161 N CB -0.592 37.860 38.487 -0.059 0.000 0.986 161 N HN 0.473 nan 8.380 nan 0.000 0.428 162 A N 1.908 124.765 122.820 0.061 0.000 1.877 162 A HA -0.153 4.167 4.320 0.001 0.000 0.216 162 A C 2.162 179.790 177.584 0.073 0.000 1.186 162 A CA 1.339 53.450 52.037 0.125 0.000 0.620 162 A CB -0.385 18.777 19.000 0.270 0.000 0.822 162 A HN 0.202 nan 8.150 nan 0.000 0.443 163 K N -0.617 119.817 120.400 0.056 0.000 2.032 163 K HA -0.136 4.184 4.320 0.001 0.000 0.209 163 K C 2.087 178.704 176.600 0.029 0.000 1.048 163 K CA 1.484 57.794 56.287 0.039 0.000 0.927 163 K CB -0.251 32.267 32.500 0.030 0.000 0.712 163 K HN 0.370 nan 8.250 nan 0.000 0.441 164 R N 0.665 121.178 120.500 0.020 0.000 2.355 164 R HA -0.048 4.293 4.340 0.001 0.000 0.219 164 R C 1.038 177.349 176.300 0.017 0.000 1.107 164 R CA 0.639 56.748 56.100 0.015 0.000 1.021 164 R CB -0.101 30.200 30.300 0.001 0.000 0.852 164 R HN 0.271 nan 8.270 nan 0.000 0.475 165 N N -0.684 118.031 118.700 0.025 0.000 2.171 165 N HA 0.034 4.775 4.740 0.001 0.000 0.212 165 N C 0.438 175.969 175.510 0.035 0.000 1.184 165 N CA 0.619 53.686 53.050 0.029 0.000 0.888 165 N CB 1.570 40.075 38.487 0.031 0.000 1.038 165 N HN 0.242 nan 8.380 nan 0.000 0.517 166 G N 1.570 110.390 108.800 0.034 0.000 2.283 166 G HA2 -0.254 3.707 3.960 0.001 0.000 0.280 166 G HA3 -0.254 3.707 3.960 0.001 0.000 0.280 166 G C 0.118 175.037 174.900 0.032 0.000 1.029 166 G CA 0.987 46.106 45.100 0.031 0.000 0.840 166 G HN 0.293 nan 8.290 nan 0.000 0.505 167 V N -4.330 115.606 119.914 0.037 0.000 3.001 167 V HA 0.877 4.998 4.120 0.001 0.000 0.314 167 V C 0.266 176.379 176.094 0.031 0.000 1.099 167 V CA -1.570 60.748 62.300 0.031 0.000 0.989 167 V CB 2.251 34.094 31.823 0.033 0.000 1.040 167 V HN 0.221 nan 8.190 nan 0.000 0.434 168 R N 2.451 122.954 120.500 0.004 0.000 2.748 168 R HA 0.420 4.760 4.340 0.001 0.000 0.283 168 R C -2.712 173.535 176.300 -0.089 0.000 1.507 168 R CA -1.643 54.449 56.100 -0.013 0.000 1.666 168 R CB 1.140 31.434 30.300 -0.009 0.000 1.237 168 R HN 0.710 nan 8.270 nan 0.000 0.633 169 P HA 0.056 nan 4.420 nan 0.000 0.272 169 P C -0.691 176.297 177.300 -0.519 0.000 1.223 169 P CA -0.054 62.822 63.100 -0.372 0.000 0.784 169 P CB 0.607 31.983 31.700 -0.540 0.000 0.923 170 R N 1.491 121.704 120.500 -0.479 0.000 2.459 170 R HA 0.585 4.925 4.340 0.001 0.000 0.281 170 R C -0.726 175.200 176.300 -0.623 0.000 1.050 170 R CA -0.396 55.456 56.100 -0.413 0.000 1.055 170 R CB 0.300 30.443 30.300 -0.263 0.000 1.045 170 R HN 0.315 nan 8.270 nan 0.000 0.495 171 F N 1.849 121.753 119.950 -0.077 0.000 2.529 171 F HA 0.477 5.005 4.527 0.001 0.000 0.320 171 F C -0.201 175.557 175.800 -0.070 0.000 1.118 171 F CA -1.060 56.901 58.000 -0.065 0.000 0.915 171 F CB 2.185 41.157 39.000 -0.047 0.000 1.161 171 F HN 0.194 nan 8.300 nan 0.000 0.445 172 L N 3.401 124.698 121.223 0.123 0.000 2.455 172 L HA 0.431 4.771 4.340 0.001 0.000 0.264 172 L C -0.875 176.041 176.870 0.078 0.000 0.968 172 L CA -0.409 54.461 54.840 0.050 0.000 0.827 172 L CB 2.103 44.143 42.059 -0.033 0.000 1.317 172 L HN 0.733 nan 8.230 nan 0.000 0.407 173 E N 2.943 123.184 120.200 0.068 0.000 2.338 173 E HA 0.554 4.905 4.350 0.001 0.000 0.272 173 E C -0.124 176.517 176.600 0.068 0.000 1.029 173 E CA 0.501 56.937 56.400 0.059 0.000 0.872 173 E CB 1.121 30.848 29.700 0.045 0.000 1.015 173 E HN 0.910 nan 8.360 nan 0.000 0.417 174 G N 2.031 110.867 108.800 0.059 0.000 2.346 174 G HA2 -0.020 3.941 3.960 0.001 0.000 0.294 174 G HA3 -0.020 3.941 3.960 0.001 0.000 0.294 174 G C -0.932 174.002 174.900 0.057 0.000 1.294 174 G CA -0.195 44.942 45.100 0.063 0.000 0.962 174 G HN 0.568 nan 8.290 nan 0.000 0.508 175 S N -1.889 113.845 115.700 0.057 0.000 2.721 175 S HA 0.614 5.085 4.470 0.001 0.000 0.296 175 S C 1.475 176.113 174.600 0.063 0.000 1.093 175 S CA 0.186 58.415 58.200 0.048 0.000 0.959 175 S CB 1.134 64.354 63.200 0.033 0.000 1.301 175 S HN 1.485 nan 8.310 nan 0.000 0.550 176 L N 2.196 123.454 121.223 0.059 0.000 2.081 176 L HA -0.053 4.288 4.340 0.001 0.000 0.212 176 L C 2.127 179.054 176.870 0.095 0.000 1.080 176 L CA 2.003 56.892 54.840 0.082 0.000 0.754 176 L CB -1.095 41.020 42.059 0.093 0.000 0.893 176 L HN 0.600 nan 8.230 nan 0.000 0.433 177 E N -0.085 120.158 120.200 0.071 0.000 2.085 177 E HA -0.202 4.149 4.350 0.001 0.000 0.194 177 E C 2.170 178.822 176.600 0.087 0.000 0.994 177 E CA 1.419 57.858 56.400 0.066 0.000 0.801 177 E CB -0.506 29.219 29.700 0.042 0.000 0.743 177 E HN 0.623 nan 8.360 nan 0.000 0.453 178 A N 1.051 123.935 122.820 0.105 0.000 2.070 178 A HA 0.007 4.328 4.320 0.001 0.000 0.220 178 A C 2.268 180.007 177.584 0.258 0.000 1.159 178 A CA 1.671 53.800 52.037 0.153 0.000 0.656 178 A CB -0.236 18.852 19.000 0.145 0.000 0.800 178 A HN 0.249 nan 8.150 nan 0.000 0.453 179 A N -0.462 122.507 122.820 0.249 0.000 2.044 179 A HA 0.266 4.587 4.320 0.001 0.000 0.213 179 A C 1.970 179.824 177.584 0.451 0.000 1.169 179 A CA 0.671 52.939 52.037 0.385 0.000 0.724 179 A CB -0.391 18.738 19.000 0.215 0.000 0.840 179 A HN 0.426 nan 8.150 nan 0.000 0.463 180 L N -0.224 121.163 121.223 0.273 0.000 2.042 180 L HA -0.121 4.220 4.340 0.001 0.000 0.210 180 L C -0.550 176.341 176.870 0.034 0.000 1.076 180 L CA 1.268 56.227 54.840 0.198 0.000 0.749 180 L CB -1.846 40.284 42.059 0.118 0.000 0.893 180 L HN 0.194 nan 8.230 nan 0.000 0.432 181 P HA -0.181 nan 4.420 nan 0.000 0.220 181 P C 1.033 178.021 177.300 -0.519 0.000 1.144 181 P CA 1.533 64.408 63.100 -0.375 0.000 0.800 181 P CB -0.068 31.273 31.700 -0.599 0.000 0.772 182 F N -2.103 117.873 119.950 0.044 0.000 2.664 182 F HA 0.325 4.852 4.527 0.001 0.000 0.303 182 F C 1.792 177.406 175.800 -0.310 0.000 1.092 182 F CA -0.399 57.589 58.000 -0.019 0.000 1.305 182 F CB -0.068 38.997 39.000 0.109 0.000 1.054 182 F HN -0.140 nan 8.300 nan 0.000 0.565 183 G N 0.368 108.986 108.800 -0.303 0.000 2.736 183 G HA2 0.465 4.426 3.960 0.001 0.000 0.229 183 G HA3 0.465 4.426 3.960 0.001 0.000 0.229 183 G C -2.282 172.398 174.900 -0.367 0.000 1.380 183 G CA -0.975 43.664 45.100 -0.769 0.000 1.040 183 G HN -0.154 nan 8.290 nan 0.000 0.568 184 P HA 0.412 nan 4.420 nan 0.000 0.274 184 P C -1.307 175.765 177.300 -0.381 0.000 1.246 184 P CA -0.243 62.724 63.100 -0.221 0.000 0.795 184 P CB 0.835 32.499 31.700 -0.060 0.000 1.006 185 F N -0.410 119.569 119.950 0.048 0.000 2.483 185 F HA 0.248 4.775 4.527 0.001 0.000 0.329 185 F C 1.617 177.440 175.800 0.039 0.000 1.064 185 F CA -0.275 57.750 58.000 0.042 0.000 0.986 185 F CB 0.890 39.916 39.000 0.043 0.000 1.218 185 F HN 0.203 nan 8.300 nan 0.000 0.484 186 D N 0.706 121.238 120.400 0.221 0.000 2.346 186 D HA 0.125 4.766 4.640 0.001 0.000 0.206 186 D C -0.288 176.097 176.300 0.140 0.000 1.001 186 D CA 0.962 55.046 54.000 0.140 0.000 0.871 186 D CB 0.733 41.593 40.800 0.100 0.000 0.943 186 D HN 0.136 nan 8.370 nan 0.000 0.518 187 L N 0.372 121.691 121.223 0.161 0.000 2.545 187 L HA 0.434 4.775 4.340 0.001 0.000 0.258 187 L C -2.106 174.769 176.870 0.008 0.000 0.942 187 L CA -0.715 54.172 54.840 0.078 0.000 0.855 187 L CB 2.426 44.521 42.059 0.060 0.000 1.374 187 L HN -0.208 nan 8.230 nan 0.000 0.411 188 L N 4.573 125.753 121.223 -0.073 0.000 2.376 188 L HA 0.791 5.132 4.340 0.001 0.000 0.275 188 L C -1.510 175.247 176.870 -0.188 0.000 0.987 188 L CA -0.613 54.118 54.840 -0.182 0.000 0.828 188 L CB 1.889 43.800 42.059 -0.247 0.000 1.249 188 L HN 0.521 nan 8.230 nan 0.000 0.409 189 V N 5.167 124.983 119.914 -0.163 0.000 2.435 189 V HA 0.923 5.044 4.120 0.001 0.000 0.290 189 V C -0.437 175.584 176.094 -0.121 0.000 1.030 189 V CA 0.082 62.300 62.300 -0.136 0.000 0.881 189 V CB 1.592 33.359 31.823 -0.092 0.000 0.983 189 V HN 0.886 nan 8.190 nan 0.000 0.445 190 A N 5.156 127.921 122.820 -0.091 0.000 2.414 190 A HA 0.569 4.890 4.320 0.001 0.000 0.286 190 A C -0.780 176.860 177.584 0.094 0.000 1.073 190 A CA -0.593 51.446 52.037 0.003 0.000 0.727 190 A CB 1.032 20.058 19.000 0.043 0.000 1.215 190 A HN 0.730 nan 8.150 nan 0.000 0.430 191 N N 3.575 122.306 118.700 0.051 0.000 2.801 191 N HA 0.514 5.255 4.740 0.001 0.000 0.235 191 N C -0.203 175.336 175.510 0.048 0.000 1.069 191 N CA -0.020 53.063 53.050 0.054 0.000 0.946 191 N CB -0.103 38.375 38.487 -0.016 0.000 1.212 191 N HN 0.671 nan 8.380 nan 0.000 0.509 192 L N 1.731 122.990 121.223 0.060 0.000 2.726 192 L HA 0.601 4.942 4.340 0.001 0.000 0.220 192 L C -0.686 176.208 176.870 0.040 0.000 1.692 192 L CA -0.780 53.999 54.840 -0.101 0.000 2.831 192 L CB 0.109 41.878 42.059 -0.482 0.000 2.626 192 L HN 0.330 nan 8.230 nan 0.000 0.786 193 Y N -3.549 116.580 120.300 -0.285 0.000 2.641 193 Y HA 0.635 5.185 4.550 0.001 0.000 0.333 193 Y C 0.456 176.318 175.900 -0.064 0.000 1.174 193 Y CA -0.691 57.378 58.100 -0.051 0.000 1.057 193 Y CB 0.913 39.373 38.460 0.002 0.000 1.322 193 Y HN 0.301 nan 8.280 nan 0.000 0.457 194 A N 0.908 123.867 122.820 0.232 0.000 1.903 194 A HA -0.251 4.070 4.320 0.001 0.000 0.219 194 A C 1.585 179.202 177.584 0.056 0.000 1.191 194 A CA 2.631 54.782 52.037 0.190 0.000 0.638 194 A CB -0.815 18.292 19.000 0.179 0.000 0.823 194 A HN 0.926 nan 8.150 nan 0.000 0.451 195 E N -0.851 119.392 120.200 0.073 0.000 2.110 195 E HA -0.117 4.234 4.350 0.001 0.000 0.193 195 E C 1.862 178.359 176.600 -0.173 0.000 0.988 195 E CA 1.064 57.478 56.400 0.024 0.000 0.804 195 E CB -0.299 29.511 29.700 0.182 0.000 0.745 195 E HN 0.519 nan 8.360 nan 0.000 0.458 196 L N 0.308 121.189 121.223 -0.569 0.000 2.095 196 L HA -0.082 4.259 4.340 0.001 0.000 0.204 196 L C 1.883 178.498 176.870 -0.425 0.000 1.080 196 L CA 1.737 56.192 54.840 -0.641 0.000 0.759 196 L CB -0.461 40.901 42.059 -1.162 0.000 0.914 196 L HN 0.216 nan 8.230 nan 0.000 0.439 197 H N -0.248 118.664 119.070 -0.262 0.000 2.352 197 H HA -0.077 4.480 4.556 0.001 0.000 0.299 197 H C 2.145 177.342 175.328 -0.219 0.000 1.097 197 H CA 1.385 57.348 56.048 -0.142 0.000 1.311 197 H CB -0.657 29.111 29.762 0.011 0.000 1.377 197 H HN 0.487 nan 8.280 nan 0.000 0.504 198 A N 1.491 124.288 122.820 -0.039 0.000 1.883 198 A HA -0.122 4.199 4.320 0.001 0.000 0.217 198 A C 2.720 180.229 177.584 -0.125 0.000 1.186 198 A CA 2.061 54.055 52.037 -0.072 0.000 0.624 198 A CB -0.936 18.045 19.000 -0.032 0.000 0.822 198 A HN 0.451 nan 8.150 nan 0.000 0.444 199 A N -1.708 121.028 122.820 -0.141 0.000 2.067 199 A HA 0.139 4.460 4.320 0.001 0.000 0.219 199 A C 1.877 179.336 177.584 -0.208 0.000 1.158 199 A CA 1.510 53.462 52.037 -0.141 0.000 0.661 199 A CB -0.280 18.650 19.000 -0.116 0.000 0.801 199 A HN 0.396 nan 8.150 nan 0.000 0.452 200 L N -1.596 119.420 121.223 -0.346 0.000 2.408 200 L HA 0.273 4.614 4.340 0.001 0.000 0.215 200 L C 2.695 179.109 176.870 -0.759 0.000 1.081 200 L CA 1.040 55.541 54.840 -0.564 0.000 0.840 200 L CB -0.829 40.769 42.059 -0.767 0.000 1.002 200 L HN 0.330 nan 8.230 nan 0.000 0.468 201 A N 1.491 123.942 122.820 -0.614 0.000 1.906 201 A HA -0.243 4.077 4.320 0.001 0.000 0.222 201 A C -0.115 177.462 177.584 -0.012 0.000 1.282 201 A CA 2.680 54.534 52.037 -0.306 0.000 0.675 201 A CB -2.207 16.707 19.000 -0.144 0.000 0.838 201 A HN 0.384 nan 8.150 nan 0.000 0.469 202 P HA -0.144 nan 4.420 nan 0.000 0.220 202 P C 1.110 178.443 177.300 0.055 0.000 1.148 202 P CA 1.467 64.595 63.100 0.045 0.000 0.803 202 P CB -0.151 31.548 31.700 -0.001 0.000 0.782 203 R N -1.484 119.010 120.500 -0.011 0.000 2.161 203 R HA 0.061 4.402 4.340 0.001 0.000 0.213 203 R C 2.578 178.977 176.300 0.165 0.000 1.055 203 R CA 0.657 56.777 56.100 0.033 0.000 0.996 203 R CB -1.059 29.227 30.300 -0.024 0.000 0.901 203 R HN 0.288 nan 8.270 nan 0.000 0.456 204 Y N 0.718 121.099 120.300 0.135 0.000 2.193 204 Y HA -0.349 4.202 4.550 0.001 0.000 0.285 204 Y C 2.369 178.482 175.900 0.355 0.000 1.166 204 Y CA 1.312 59.535 58.100 0.206 0.000 1.181 204 Y CB -0.062 38.465 38.460 0.111 0.000 0.976 204 Y HN 0.122 nan 8.280 nan 0.000 0.520 205 R N 0.900 121.684 120.500 0.474 0.000 2.119 205 R HA -0.096 4.245 4.340 0.001 0.000 0.222 205 R C 1.412 177.765 176.300 0.089 0.000 1.088 205 R CA 1.685 57.876 56.100 0.151 0.000 0.984 205 R CB -0.679 29.533 30.300 -0.146 0.000 0.884 205 R HN 0.275 nan 8.270 nan 0.000 0.447 206 E N 0.658 120.925 120.200 0.112 0.000 2.265 206 E HA -0.096 4.255 4.350 0.001 0.000 0.196 206 E C 1.788 178.462 176.600 0.124 0.000 0.996 206 E CA 1.014 57.464 56.400 0.084 0.000 0.832 206 E CB 0.001 29.744 29.700 0.071 0.000 0.756 206 E HN 0.596 nan 8.360 nan 0.000 0.491 207 A N 0.756 123.696 122.820 0.200 0.000 1.984 207 A HA 0.096 4.417 4.320 0.001 0.000 0.214 207 A C 1.087 178.849 177.584 0.298 0.000 1.173 207 A CA 0.184 52.390 52.037 0.281 0.000 0.673 207 A CB 0.067 19.257 19.000 0.317 0.000 0.830 207 A HN 0.042 nan 8.150 nan 0.000 0.453 208 L N 1.022 122.382 121.223 0.230 0.000 2.334 208 L HA 0.386 4.727 4.340 0.001 0.000 0.277 208 L C 0.401 177.326 176.870 0.092 0.000 1.075 208 L CA -1.019 53.933 54.840 0.187 0.000 0.804 208 L CB 1.606 43.785 42.059 0.201 0.000 1.174 208 L HN 0.251 nan 8.230 nan 0.000 0.438 209 V N 0.758 120.716 119.914 0.072 0.000 3.096 209 V HA 0.259 4.380 4.120 0.001 0.000 0.306 209 V C -2.272 173.832 176.094 0.015 0.000 1.088 209 V CA -1.738 60.579 62.300 0.027 0.000 1.129 209 V CB -0.313 31.521 31.823 0.018 0.000 1.014 209 V HN 0.568 nan 8.190 nan 0.000 0.486 210 P HA 0.297 nan 4.420 nan 0.000 0.263 210 P C 0.933 178.237 177.300 0.008 0.000 1.195 210 P CA 1.713 64.805 63.100 -0.013 0.000 0.762 210 P CB 0.579 32.269 31.700 -0.016 0.000 0.799 211 G N 2.065 110.874 108.800 0.014 0.000 2.217 211 G HA2 -0.177 3.784 3.960 0.001 0.000 0.246 211 G HA3 -0.177 3.784 3.960 0.001 0.000 0.246 211 G C 0.683 175.620 174.900 0.061 0.000 0.990 211 G CA -0.176 44.945 45.100 0.035 0.000 0.627 211 G HN 0.879 nan 8.290 nan 0.000 0.522 212 G N -0.017 108.825 108.800 0.070 0.000 2.720 212 G HA2 0.467 4.428 3.960 0.001 0.000 0.237 212 G HA3 0.467 4.428 3.960 0.001 0.000 0.237 212 G C 0.201 175.184 174.900 0.138 0.000 1.239 212 G CA 0.326 45.490 45.100 0.107 0.000 0.847 212 G HN 0.770 nan 8.290 nan 0.000 0.593 213 R N -0.499 120.080 120.500 0.130 0.000 2.744 213 R HA 0.665 5.006 4.340 0.001 0.000 0.279 213 R C -0.821 175.509 176.300 0.051 0.000 0.977 213 R CA -0.833 55.332 56.100 0.108 0.000 0.906 213 R CB 2.249 32.582 30.300 0.055 0.000 1.197 213 R HN 0.629 nan 8.270 nan 0.000 0.463 214 A N 3.272 126.094 122.820 0.003 0.000 2.331 214 A HA 0.640 4.961 4.320 0.001 0.000 0.320 214 A C -0.746 176.729 177.584 -0.182 0.000 1.138 214 A CA -0.800 51.139 52.037 -0.164 0.000 0.790 214 A CB 0.804 19.591 19.000 -0.355 0.000 1.206 214 A HN 0.596 nan 8.150 nan 0.000 0.470 215 L N 2.991 124.080 121.223 -0.223 0.000 2.319 215 L HA 0.512 4.852 4.340 0.001 0.000 0.281 215 L C -1.360 175.384 176.870 -0.210 0.000 1.005 215 L CA -0.688 54.028 54.840 -0.206 0.000 0.828 215 L CB 1.383 43.331 42.059 -0.186 0.000 1.227 215 L HN 0.447 nan 8.230 nan 0.000 0.415 216 L N 3.060 124.155 121.223 -0.214 0.000 2.342 216 L HA 0.670 5.011 4.340 0.001 0.000 0.276 216 L C 0.150 176.914 176.870 -0.176 0.000 0.997 216 L CA 0.333 54.960 54.840 -0.355 0.000 0.838 216 L CB 1.713 43.437 42.059 -0.558 0.000 1.224 216 L HN 0.642 nan 8.230 nan 0.000 0.416 217 T N 0.821 115.376 114.554 0.002 0.000 2.591 217 T HA 0.631 4.981 4.350 0.001 0.000 0.274 217 T C 0.742 175.600 174.700 0.263 0.000 0.945 217 T CA 0.161 62.332 62.100 0.119 0.000 1.087 217 T CB 1.291 70.192 68.868 0.054 0.000 1.416 217 T HN 0.870 nan 8.240 nan 0.000 0.514 218 G N 0.632 109.543 108.800 0.185 0.000 2.168 218 G HA2 -0.188 3.773 3.960 0.001 0.000 0.263 218 G HA3 -0.188 3.773 3.960 0.001 0.000 0.263 218 G C 0.107 175.286 174.900 0.465 0.000 0.977 218 G CA 0.501 45.720 45.100 0.199 0.000 0.659 218 G HN 0.801 nan 8.290 nan 0.000 0.533 219 I N 1.698 122.542 120.570 0.456 0.000 2.352 219 I HA 0.283 4.453 4.170 0.001 0.000 0.290 219 I C 0.615 176.981 176.117 0.416 0.000 1.036 219 I CA -1.122 60.424 61.300 0.410 0.000 1.336 219 I CB 0.939 39.104 38.000 0.276 0.000 1.407 219 I HN -0.153 nan 8.210 nan 0.000 0.497 220 L N 7.799 129.167 121.223 0.242 0.000 2.455 220 L HA 0.093 4.434 4.340 0.001 0.000 0.272 220 L C 1.620 178.487 176.870 -0.005 0.000 1.174 220 L CA 0.447 55.246 54.840 -0.069 0.000 0.869 220 L CB 0.137 42.079 42.059 -0.196 0.000 1.130 220 L HN 0.650 nan 8.230 nan 0.000 0.474 221 K N 1.936 122.310 120.400 -0.043 0.000 2.071 221 K HA -0.237 4.084 4.320 0.001 0.000 0.217 221 K C 1.019 177.616 176.600 -0.006 0.000 1.054 221 K CA 2.176 58.456 56.287 -0.011 0.000 0.937 221 K CB -0.093 32.384 32.500 -0.038 0.000 0.719 221 K HN 0.736 nan 8.250 nan 0.000 0.454 222 D N -0.157 120.224 120.400 -0.033 0.000 2.378 222 D HA -0.122 4.519 4.640 0.001 0.000 0.227 222 D C 1.245 177.546 176.300 0.002 0.000 1.012 222 D CA 0.676 54.664 54.000 -0.020 0.000 0.905 222 D CB 0.025 40.801 40.800 -0.040 0.000 0.895 222 D HN 0.207 nan 8.370 nan 0.000 0.532 223 R N -0.554 119.959 120.500 0.021 0.000 2.509 223 R HA 0.333 4.674 4.340 0.001 0.000 0.297 223 R C 1.938 178.280 176.300 0.070 0.000 0.951 223 R CA 0.359 56.487 56.100 0.048 0.000 1.103 223 R CB 0.597 30.935 30.300 0.065 0.000 1.283 223 R HN 0.076 nan 8.270 nan 0.000 0.534 224 A N 2.340 125.201 122.820 0.069 0.000 1.917 224 A HA -0.096 4.225 4.320 0.001 0.000 0.219 224 A C -0.677 176.950 177.584 0.073 0.000 1.182 224 A CA 1.313 53.399 52.037 0.081 0.000 0.633 224 A CB -1.151 17.894 19.000 0.075 0.000 0.819 224 A HN 0.092 nan 8.150 nan 0.000 0.448 225 P HA -0.201 nan 4.420 nan 0.000 0.218 225 P C 1.365 178.693 177.300 0.047 0.000 1.154 225 P CA 1.099 64.229 63.100 0.050 0.000 0.872 225 P CB -0.155 31.567 31.700 0.037 0.000 0.790 226 L N -1.345 119.905 121.223 0.045 0.000 2.021 226 L HA -0.208 4.133 4.340 0.001 0.000 0.215 226 L C 2.442 179.329 176.870 0.028 0.000 1.074 226 L CA 1.916 56.778 54.840 0.037 0.000 0.760 226 L CB -1.369 40.719 42.059 0.047 0.000 0.889 226 L HN -0.116 nan 8.230 nan 0.000 0.433 227 V N -1.261 118.677 119.914 0.041 0.000 2.302 227 V HA -0.213 3.907 4.120 0.001 0.000 0.243 227 V C 2.537 178.615 176.094 -0.027 0.000 1.036 227 V CA 1.440 63.742 62.300 0.003 0.000 1.020 227 V CB -0.605 31.238 31.823 0.034 0.000 0.657 227 V HN 0.342 nan 8.190 nan 0.000 0.453 228 R N 0.120 120.666 120.500 0.076 0.000 2.133 228 R HA -0.300 4.041 4.340 0.001 0.000 0.245 228 R C 2.417 178.760 176.300 0.071 0.000 1.137 228 R CA 2.476 58.660 56.100 0.140 0.000 0.947 228 R CB -0.412 29.967 30.300 0.131 0.000 0.865 228 R HN 0.697 nan 8.270 nan 0.000 0.437 229 E N 0.098 120.323 120.200 0.043 0.000 2.047 229 E HA -0.164 4.187 4.350 0.001 0.000 0.191 229 E C 1.990 178.594 176.600 0.007 0.000 0.987 229 E CA 1.107 57.525 56.400 0.031 0.000 0.799 229 E CB -0.093 29.623 29.700 0.027 0.000 0.752 229 E HN 0.379 nan 8.360 nan 0.000 0.449 230 A N 1.113 123.921 122.820 -0.019 0.000 1.917 230 A HA -0.222 4.098 4.320 0.001 0.000 0.219 230 A C 2.217 179.770 177.584 -0.051 0.000 1.182 230 A CA 1.928 53.942 52.037 -0.039 0.000 0.633 230 A CB -0.496 18.470 19.000 -0.058 0.000 0.819 230 A HN 0.326 nan 8.150 nan 0.000 0.448 231 M N -0.638 118.879 119.600 -0.138 0.000 2.132 231 M HA -0.072 4.409 4.480 0.001 0.000 0.263 231 M C 2.554 178.899 176.300 0.075 0.000 1.065 231 M CA 1.496 56.684 55.300 -0.187 0.000 1.122 231 M CB -1.587 30.538 32.600 -0.792 0.000 1.365 231 M HN 0.490 nan 8.290 nan 0.000 0.411 232 A N 0.622 123.486 122.820 0.073 0.000 1.883 232 A HA -0.071 4.250 4.320 0.001 0.000 0.217 232 A C 2.440 180.075 177.584 0.086 0.000 1.186 232 A CA 2.132 54.235 52.037 0.110 0.000 0.624 232 A CB -1.569 17.487 19.000 0.094 0.000 0.822 232 A HN 0.517 nan 8.150 nan 0.000 0.444 233 G N -0.815 108.021 108.800 0.059 0.000 2.450 233 G HA2 0.007 3.968 3.960 0.001 0.000 0.220 233 G HA3 0.007 3.968 3.960 0.001 0.000 0.220 233 G C 1.474 176.406 174.900 0.054 0.000 1.130 233 G CA 1.340 46.467 45.100 0.044 0.000 0.760 233 G HN 0.930 nan 8.290 nan 0.000 0.557 234 A N -0.749 122.129 122.820 0.096 0.000 2.218 234 A HA 0.495 4.816 4.320 0.001 0.000 0.209 234 A C 1.878 179.510 177.584 0.080 0.000 1.168 234 A CA 1.236 53.345 52.037 0.121 0.000 0.804 234 A CB -0.197 18.938 19.000 0.224 0.000 0.834 234 A HN 1.602 nan 8.150 nan 0.000 0.482 235 G N -1.776 107.077 108.800 0.088 0.000 2.134 235 G HA2 -0.201 3.760 3.960 0.001 0.000 0.209 235 G HA3 -0.201 3.760 3.960 0.001 0.000 0.209 235 G C -0.068 174.805 174.900 -0.044 0.000 0.993 235 G CA -0.090 45.011 45.100 0.002 0.000 0.669 235 G HN 0.250 nan 8.290 nan 0.000 0.519 236 F N 0.306 120.278 119.950 0.037 0.000 2.403 236 F HA 0.651 5.178 4.527 0.001 0.000 0.320 236 F C 1.179 177.056 175.800 0.129 0.000 1.176 236 F CA -0.103 57.946 58.000 0.082 0.000 1.206 236 F CB 0.737 39.775 39.000 0.063 0.000 1.235 236 F HN 0.161 nan 8.300 nan 0.000 0.565 237 R N 2.643 123.360 120.500 0.362 0.000 2.480 237 R HA 0.481 4.822 4.340 0.001 0.000 0.306 237 R C -3.107 173.354 176.300 0.268 0.000 0.958 237 R CA -1.947 54.302 56.100 0.248 0.000 0.861 237 R CB 1.696 32.079 30.300 0.139 0.000 1.171 237 R HN 0.227 nan 8.270 nan 0.000 0.445 238 P HA 0.141 nan 4.420 nan 0.000 0.274 238 P C -0.344 176.879 177.300 -0.129 0.000 1.231 238 P CA -0.280 62.739 63.100 -0.135 0.000 0.790 238 P CB 0.977 32.616 31.700 -0.102 0.000 0.951 239 L N 0.150 121.231 121.223 -0.238 0.000 2.658 239 L HA 0.308 4.649 4.340 0.001 0.000 0.201 239 L C 0.525 177.350 176.870 -0.074 0.000 1.050 239 L CA 0.175 54.956 54.840 -0.099 0.000 0.893 239 L CB 0.146 42.180 42.059 -0.041 0.000 1.503 239 L HN 0.446 nan 8.230 nan 0.000 0.485 240 E N -0.575 119.547 120.200 -0.129 0.000 2.390 240 E HA 0.461 4.812 4.350 0.001 0.000 0.280 240 E C -1.525 175.008 176.600 -0.112 0.000 0.992 240 E CA -0.855 55.504 56.400 -0.067 0.000 0.790 240 E CB 1.800 31.520 29.700 0.034 0.000 1.248 240 E HN -0.027 nan 8.360 nan 0.000 0.447 241 E N 0.537 120.700 120.200 -0.062 0.000 2.248 241 E HA 0.693 5.043 4.350 0.001 0.000 0.267 241 E C -1.291 175.306 176.600 -0.005 0.000 0.877 241 E CA -1.394 54.978 56.400 -0.045 0.000 0.759 241 E CB 2.177 31.856 29.700 -0.035 0.000 1.182 241 E HN 0.613 nan 8.360 nan 0.000 0.418 242 A N 1.484 124.311 122.820 0.011 0.000 2.413 242 A HA 0.905 5.226 4.320 0.001 0.000 0.307 242 A C -1.293 176.318 177.584 0.045 0.000 1.087 242 A CA -0.489 51.566 52.037 0.030 0.000 0.750 242 A CB 1.833 20.856 19.000 0.038 0.000 1.296 242 A HN 0.620 nan 8.150 nan 0.000 0.423 243 A N 0.462 123.312 122.820 0.050 0.000 2.498 243 A HA 0.845 5.166 4.320 0.001 0.000 0.298 243 A C -0.853 176.773 177.584 0.071 0.000 1.075 243 A CA -0.347 51.730 52.037 0.068 0.000 0.714 243 A CB 1.515 20.544 19.000 0.049 0.000 1.299 243 A HN 0.965 nan 8.150 nan 0.000 0.407 244 E N 1.008 121.270 120.200 0.102 0.000 2.404 244 E HA 0.469 4.820 4.350 0.001 0.000 0.298 244 E C 0.357 177.039 176.600 0.136 0.000 0.908 244 E CA 0.371 56.827 56.400 0.093 0.000 0.808 244 E CB 0.886 30.629 29.700 0.073 0.000 1.380 244 E HN 2.308 nan 8.360 nan 0.000 0.392 245 G N 3.811 112.659 108.800 0.080 0.000 2.550 245 G HA2 -0.309 3.652 3.960 0.001 0.000 0.277 245 G HA3 -0.309 3.652 3.960 0.001 0.000 0.277 245 G C 0.280 175.174 174.900 -0.010 0.000 1.190 245 G CA 0.150 45.282 45.100 0.054 0.000 0.971 245 G HN 0.568 nan 8.290 nan 0.000 0.559 246 E N 1.109 121.225 120.200 -0.140 0.000 2.304 246 E HA 0.277 4.627 4.350 0.001 0.000 0.212 246 E C -0.717 175.586 176.600 -0.495 0.000 1.185 246 E CA 0.036 56.253 56.400 -0.306 0.000 1.326 246 E CB -0.100 29.367 29.700 -0.388 0.000 1.283 246 E HN 0.314 nan 8.360 nan 0.000 0.440 247 W N -0.336 120.974 121.300 0.015 0.000 2.936 247 W HA 0.396 5.057 4.660 0.002 0.000 0.338 247 W C -0.209 176.326 176.519 0.027 0.000 1.121 247 W CA -0.933 56.432 57.345 0.033 0.000 1.209 247 W CB 1.160 30.639 29.460 0.032 0.000 1.420 247 W HN -0.228 nan 8.180 nan 0.000 0.516 248 V N 0.359 120.462 119.914 0.314 0.000 3.160 248 V HA 0.809 4.930 4.120 0.001 0.000 0.310 248 V C -1.712 174.471 176.094 0.148 0.000 1.181 248 V CA -1.478 60.927 62.300 0.175 0.000 1.047 248 V CB 1.860 33.749 31.823 0.111 0.000 1.068 248 V HN 0.633 nan 8.190 nan 0.000 0.441 249 L N 1.904 123.174 121.223 0.079 0.000 2.410 249 L HA 0.754 5.095 4.340 0.001 0.000 0.270 249 L C -1.545 175.321 176.870 -0.007 0.000 0.983 249 L CA -0.616 54.244 54.840 0.032 0.000 0.822 249 L CB 1.764 43.830 42.059 0.012 0.000 1.285 249 L HN 0.773 nan 8.230 nan 0.000 0.409 250 L N 5.073 126.282 121.223 -0.024 0.000 2.333 250 L HA 0.823 5.164 4.340 0.001 0.000 0.280 250 L C -0.313 176.479 176.870 -0.131 0.000 1.004 250 L CA -0.615 54.192 54.840 -0.055 0.000 0.820 250 L CB 1.790 43.925 42.059 0.127 0.000 1.247 250 L HN 0.703 nan 8.230 nan 0.000 0.416 251 A N 3.205 125.811 122.820 -0.357 0.000 2.331 251 A HA 0.840 5.161 4.320 0.001 0.000 0.320 251 A C -1.555 175.715 177.584 -0.524 0.000 1.138 251 A CA -0.307 51.520 52.037 -0.350 0.000 0.790 251 A CB 0.765 19.527 19.000 -0.397 0.000 1.206 251 A HN 0.588 nan 8.150 nan 0.000 0.470 252 Y N 0.218 120.446 120.300 -0.119 0.000 2.553 252 Y HA 0.638 5.188 4.550 0.001 0.000 0.347 252 Y C 0.694 176.668 175.900 0.123 0.000 1.019 252 Y CA -0.472 57.631 58.100 0.004 0.000 1.032 252 Y CB 2.681 41.095 38.460 -0.077 0.000 1.284 252 Y HN 0.863 nan 8.280 nan 0.000 0.466 253 G N 1.295 110.309 108.800 0.356 0.000 2.513 253 G HA2 0.638 4.599 3.960 0.001 0.000 0.317 253 G HA3 0.638 4.599 3.960 0.001 0.000 0.317 253 G C -1.300 173.747 174.900 0.246 0.000 1.277 253 G CA -0.828 44.431 45.100 0.264 0.000 0.955 253 G HN 0.633 nan 8.290 nan 0.000 0.484 254 R N 0.000 120.567 120.500 0.111 0.000 2.786 254 R HA 0.000 4.341 4.340 0.001 0.000 0.208 254 R CA 0.000 56.006 56.100 -0.156 0.000 0.921 254 R CB 0.000 30.078 30.300 -0.370 0.000 0.687 254 R HN 0.000 nan 8.270 nan 0.000 0.535